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Information card for entry 7706236
Preview
Coordinates | 7706236.cif |
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Original paper (by DOI) | HTML |
Formula | C57 H92 Cl N2 O2 P2 Si Ti |
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Calculated formula | C57 H92 Cl N2 O2 P2 Si Ti |
Title of publication | Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η<sup>2</sup>-P(SiMe<sub>3</sub>)-P<i>i</i>Pr<sub>2</sub>}] towards selected ketones. |
Authors of publication | Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 4 |
Pages of publication | 1390 - 1401 |
a | 9.9965 ± 0.0008 Å |
b | 10.3489 ± 0.0008 Å |
c | 28.541 ± 0.003 Å |
α | 100.401 ± 0.007° |
β | 93.628 ± 0.009° |
γ | 96.455 ± 0.006° |
Cell volume | 2875.1 ± 0.4 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1573 |
Residual factor for significantly intense reflections | 0.0702 |
Weighted residual factors for significantly intense reflections | 0.1526 |
Weighted residual factors for all reflections included in the refinement | 0.1735 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34143 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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